[gmx-users] printing option

Patel, Lara Anne lapatel at lanl.gov
Thu Nov 7 18:26:12 CET 2019


Hi Hadi,


I have only gotten prints of "stepXXX.pdb" when something is going wrong with the simulation.  That is not a printing option but rather supposed to help you in diagnosing the problem.


________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Hadi Rahmaninejad <ha.rahmaani at gmail.com>
Sent: Thursday, November 7, 2019 10:04:58 AM
To: gmx-users at gromacs.org
Subject: [gmx-users] printing option

Hello gromacs users,

Can any body give me a reference page in gromacs manual for printing option
in energy minimization? I know for nvt other steps, but in energy
minimization it automatically prints a lot of "stepXXX.pdb" which are
unnecessary and I want to avoid that.

Thanks,
Hadi
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